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Pyrazole 10

CAT: 1459-CS-B-00345Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-B-00345Size:1 Each
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Description
Pyrazole 10 is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Pyrazole. The product is supplied by Clearsynth under CAT No. CS-B-00345. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
373607-06-8
Synonyms
Pyrazole 10
Molecular Formula
C 32 H 37 N 5 O 3
Molecular Weight
539.68
Additionnal Information
Pyrazole 10 is supplied with detailed characterization data compliant with regulatory guideline. Pyrazole 10 can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Pyrazole.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

(S)-N-[1-Amino-3-(4-hydroxyphenyl)-1-oxo-2-propyl]-5-[1-[4-(tert-butyl)phenyl]-3-(3-pyridyl)-5-pyrazolyl]pentanamide
CAS Number373607-06-8
PubChem CID9915237
IUPAC NameN-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide
Molecular FormulaC32H37N5O3
Molecular Weight539.7
XLogP5
Topological Polar Surface Area123
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count40
Formal Charge0
Complexity801
SMILES
CC(C)(C)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CN=CC=C3)CCCCC(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N
InChI
InChI=1S/C32H37N5O3/c1-32(2,3)24-12-14-25(15-13-24)37-26(20-28(36-37)23-7-6-18-34-21-23)8-4-5-9-30(39)35-29(31(33)40)19-22-10-16-27(38)17-11-22/h6-7,10-18,20-21,29,38H,4-5,8-9,19H2,1-3H3,(H2,33,40)(H,35,39)/t29-/m0/s1
InChIKey
CMMQJXFGOBKVCU-LJAQVGFWSA-N
Chemical Structure
2D Structure
2D structure of (S)-N-[1-Amino-3-(4-hydroxyphenyl)-1-oxo-2-propyl]-5-[1-[4-(tert-butyl)phenyl]-3-(3-pyridyl)-5-pyrazolyl]pentanamide
CAS: 373607-06-8
CID: 9915237
Formula: C32H37N5O3
MW: 539.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight539.7
XLogP35
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass539.28964006
Monoisotopic Mass539.28964006
Topological Polar Surface Area123 Ų
Heavy Atom Count40
Formal Charge0
Complexity801
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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